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Molecular_Structure:
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['1 . Molar refractive index 7444 ', '2 . Molar volume （m3/mol）2005 ', '3 . Parachor （902K）5511 ', '4 . Surface tension : 570 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 2951']
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Flash_Point:
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282.8±32.9 °C
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Refractive_Index:
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1.665
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FW:
|
299.760
|
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Density:
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1.5±0.1 g/cm3
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Bolling_Point:
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543.9±60.0 °C at 760 mmHg
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Computational_Chemistry:
|
['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :11 ', '6. TPSA 137 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :372 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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LogP:
|
4.86
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|
Melting_Point:
|
202-205ºC(lit.)
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|
PSA:
|
134.01000
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MF:
|
C11H18ClN7O
|
|
More_Info:
|
['1 . Appearance Unknow ', '2 . Density（g/cm3,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）202-205 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,05mmHg）Unknow ', '7 . Refractive index(°)Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
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|
Vapor_Pressure:
|
0.0±1.5 mmHg at 25°C
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|
Exact_Mass:
|
299.126129
|
